Glycoside
GD057511
Name:
NoneFormula:
C14H21O6NSSmiles:
Cc1ccc(CCC(=O)N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)s1Aglycone:
Cc1ccc(CCC(N)=O)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | -1.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 331.39 | Num_heavy_atoms: | 22 |
| TPSA: | 119.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD28843
Formula: C8H11ONS
Smiles:
Cc1ccc(CCC(N)=O)s1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 3 |
| MolWt: | 169.25 | Num_heavy_atoms: | 11 |
| TPSA: | 43.09 | NumAromaticRings: | 1 |
